N-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-3-fluoro-4-(1,3-oxazol-5-yl)benzamide

C21H22FN5O2 — CID 149141432

IUPACN-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-3-fluoro-4-(1,3-oxazol-5-yl)benzamide
SMILESCCc1cnc(N2CCC(NC(=O)c3ccc(-c4cnco4)c(F)c3)CC2)cn1
InChIInChI=1S/C21H22FN5O2/c1-2-15-10-25-20(12-24-15)27-7-5-16(6-8-27)26-21(28)14-3-4-17(18(22)9-14)19-11-23-13-29-19/h3-4,9-13,16H,2,5-8H2,1H3,(H,26,28)
InChIKeyRHVNWQJRSPCXPA-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.23
Rot. Bonds5

About N-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-3-fluoro-4-(1,3-oxazol-5-yl)benzamide

N-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-3-fluoro-4-(1,3-oxazol-5-yl)benzamide (PubChem CID 149141432) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-3-fluoro-4-(1,3-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-3-fluoro-4-(1,3-oxazol-5-yl)benzamide
PubChem CID149141432
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC NameN-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-3-fluoro-4-(1,3-oxazol-5-yl)benzamide
SMILESCCc1cnc(N2CCC(NC(=O)c3ccc(-c4cnco4)c(F)c3)CC2)cn1
InChIInChI=1S/C21H22FN5O2/c1-2-15-10-25-20(12-24-15)27-7-5-16(6-8-27)26-21(28)14-3-4-17(18(22)9-14)19-11-23-13-29-19/h3-4,9-13,16H,2,5-8H2,1H3,(H,26,28)
InChIKeyRHVNWQJRSPCXPA-UHFFFAOYSA-N
XLogP3.23
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-3-fluoro-4-(1,3-oxazol-5-yl)benzamide?
The IUPAC name of N-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-3-fluoro-4-(1,3-oxazol-5-yl)benzamide (CID 149141432) is N-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-3-fluoro-4-(1,3-oxazol-5-yl)benzamide.
What is the SMILES notation for N-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-3-fluoro-4-(1,3-oxazol-5-yl)benzamide?
The canonical SMILES for N-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-3-fluoro-4-(1,3-oxazol-5-yl)benzamide is CCc1cnc(N2CCC(NC(=O)c3ccc(-c4cnco4)c(F)c3)CC2)cn1.
What is the InChIKey of N-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-3-fluoro-4-(1,3-oxazol-5-yl)benzamide?
The InChIKey is RHVNWQJRSPCXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-2-15-10-25-20(12-24-15)27-7-5-16(6-8-27)26-21(28)14-3-4-17(18(22)9-14)19-11-23-13-29-19/h3-4,9-13,16H,2,5-8H2,1H3,(H,26,28).
What are the key properties of N-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-3-fluoro-4-(1,3-oxazol-5-yl)benzamide?
N-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-3-fluoro-4-(1,3-oxazol-5-yl)benzamide has a molecular weight of 395.44 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylpyrazin-2-yl)piperidin-4-yl]-3-fluoro-4-(1,3-oxazol-5-yl)benzamide is sourced from PubChem (CID 149141432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).